{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.205199 0.473062 0.564306 ] [ 0.705199 0.026938 0.064306 ] [ 0.794801 0.526938 0.435694 ] [ 0.294801 0.973062 0.935694 ] [ 0.086865 0.477003 0.180476 ] [ 0.586865 0.022997 0.680476 ] [ 0.913135 0.522997 0.819524 ] [ 0.413135 0.977003 0.319524 ] [ 0.951 0.966316 0.312752 ] [ 0.451 0.533684 0.812752 ] [ 0.049 0.033684 0.687248 ] [ 0.549 0.466316 0.187248 ] [ 0.760624 0.295564 0.653137 ] [ 0.260624 0.204436 0.153137 ] [ 0.239376 0.704436 0.346863 ] [ 0.739376 0.795564 0.846863 ] [ 0.89479 0.309421 0.020393 ] [ 0.39479 0.190579 0.520393 ] [ 0.10521 0.690579 0.979607 ] [ 0.60521 0.809421 0.479607 ] [ 0.013537 0.305086 0.37557 ] [ 0.513537 0.194914 0.87557 ] [ 0.986463 0.694914 0.62443 ] [ 0.486463 0.805086 0.12443 ] [ 0.627788 0.296608 0.25794 ] [ 0.127788 0.203392 0.75794 ] [ 0.372212 0.703392 0.74206 ] [ 0.872212 0.796608 0.24206 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.07360508203 "source-unit" "angstrom" } "b" { "source-value" 4.407307 "source-unit" "angstrom" } "c" { "source-value" 7.20960578663 "source-unit" "angstrom" } "beta" { "source-value" 98.872747717 "source-unit" "degree" } }